SCHEMBL20736633

SCHEMBL20736633

Brc1ccc2c3c(ccc2c1)-c1ccc2ccccc2c1C31c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
PDK2 Q15119 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 2/20 0.39
HPRT1 P00492 3/20 0.37
CYP1A2 P05177 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20736621 0.95 PDK2 (0.43) CYP2A6PDK2MEN1KMT2ARXFP1
SCHEMBL19822252 0.90 PDK2 (0.44) CYP2A6PDK2MEN1KMT2ARXFP1
SCHEMBL19797303 0.90 PDK2 (0.44) CYP2A6PDK2MEN1KMT2ARXFP1
SCHEMBL19797305 0.88 PDK2 (0.40) CYP2A6PDK2MEN1KMT2AALDH1A1
SCHEMBL30692617 0.86 ALDH1A1 (0.48) CYP2A6MEN1KMT2AALDH1A1HSD17B10
SCHEMBL19797300 0.83 ALDH1A1 (0.39) CYP2A6PDK2MEN1KMT2AALDH1A1
SCHEMBL30198267 0.82 ALDH1A1 (0.42) CYP2A6MEN1KMT2AALDH1A1HSD17B10
SCHEMBL19797298 0.82 PDK2 (0.37) PDK2ALDH1A1CYP1B1CYP1A2MAPK1
SCHEMBL34464570 0.82 DHFR (0.36) CYP2A6PDK2MEN1KMT2ACYP1A2
SCHEMBL19822213 0.82 PDK2 (0.37) PDK2ALDH1A1CYP1B1CYP1A2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12022728-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-06-25 US disclosed
US-11552251-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-01-10 US disclosed
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-02-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11552251-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 CYP2A6 2221/4885PDK2 2420/4885MEN1 635/4885
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, ESR1, LEF1 CYP2A6 2221/4885PDK2 2420/4885MEN1 635/4885
US-12022728-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 CYP2A6 2221/4885PDK2 2420/4885MEN1 635/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.